Structure Database (LMSD)

Common Name
LTE4
Systematic Name
5S-hydroxy-6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
  • Leukotriene E4
LM ID
LMFA03020002
Formula
Exact Mass
Calculate m/z
439.239246
Status
Active


Classification

Reactions

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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299
Homo sapiens (#9606)
Mammalia (#40674)
Identification of the C(6)-S-conjugate of leukotriene A with cysteine as a naturally occurring slow reacting substance of anaphylaxis (SRS-A). Importance of the 11-cis-geometry for biological activity.,
Biochem Biophys Res Commun, 1980
Pubmed ID: 6254506

String Representations

InChiKey (Click to copy)
OTZRAYGBFWZKMX-FRFVZSDQSA-N
InChi (Click to copy)
InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
SMILES (Click to copy)
C(O)(=O)[C@@H](N)CS[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR3401
PubChem CID
SwissLipids ID
GuidePharm ID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 464.08
Topological Polar Surface Area 120.85
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.46
Molar Refractivity 126.70

Admin

Created at
-
Updated at
14th May 2021